(2R)-2-methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-methyl-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionitrile Formula: C15H18F3N4O2+ MolecularWeight: 343.32423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H17F3N4O2/c1-11(9-19)10-20-4-6-21(7-5-20)13-3-2-12(15(16,17)18)8-14(13)22(23)24/h2-3,8,11H,4-7,10H2,1H3/p+1/t11-/m0/s1